9,10-Dihydroergocristine Methanesulfonate
Product Code
TRC-D446440
CAS Number
Product Format
Neat
Molecular Formula
C35 H41 N5 O5 . C H4 O3 S
Molecular Weight
707.84
Product Categories
Tryptamines, TRC, API Reference Standards & Research Materials, Adrenergic receptors, Neurotransmission, Depression, Parkinson's, Schizophrenia, Stress and Anxiety, Pain and Inflammation
Product Type
APIAlternate CAS Number
HPLC Purity
>95%
Documentation
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Product Information
Chemical Data
Analyte Name
Dihydroergocristine Mesilate
CAS Number
24730-10-7
Molecular Formula
C35 H41 N5 O5 . C H4 O3 S
Molecular Weight
707.84
Accurate Mass
707.2989
SMILES
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O
InChI
1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+, InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34, 1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41), /m1./s1
IUPAC
(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-(1-methylethyl)-3,6-dioxo-octahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate
Alternate CAS Number
Free base: 17479-19-5
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
HPLC Purity
>95%
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